1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3-carboxamide

C24H18F3N7O2 — CID 24956300

IUPAC1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3-carboxamide
SMILESO=C(NCc1ccc(-c2nn[nH]n2)cc1)c1nn(Cc2ccc(OC(F)F)cc2)c2ccc(F)cc12
InChIInChI=1S/C24H18F3N7O2/c25-17-7-10-20-19(11-17)21(31-34(20)13-15-3-8-18(9-4-15)36-24(26)27)23(35)28-12-14-1-5-16(6-2-14)22-29-32-33-30-22/h1-11,24H,12-13H2,(H,28,35)(H,29,30,32,33)
InChIKeyJLBSIAKNWKCVHG-UHFFFAOYSA-N
MW493.45 g/mol
LogP3.94
Rot. Bonds8

About 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3-carboxamide

1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3-carboxamide (PubChem CID 24956300) has the molecular formula C24H18F3N7O2 and a molecular weight of 493.45 g/mol. Its IUPAC name is 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3-carboxamide.

Molecular Properties

Compound Name1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3-carboxamide
PubChem CID24956300
Molecular FormulaC24H18F3N7O2
Molecular Weight493.45 g/mol
Exact Mass493.15
IUPAC Name1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3-carboxamide
SMILESO=C(NCc1ccc(-c2nn[nH]n2)cc1)c1nn(Cc2ccc(OC(F)F)cc2)c2ccc(F)cc12
InChIInChI=1S/C24H18F3N7O2/c25-17-7-10-20-19(11-17)21(31-34(20)13-15-3-8-18(9-4-15)36-24(26)27)23(35)28-12-14-1-5-16(6-2-14)22-29-32-33-30-22/h1-11,24H,12-13H2,(H,28,35)(H,29,30,32,33)
InChIKeyJLBSIAKNWKCVHG-UHFFFAOYSA-N
XLogP3.94
TPSA110.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.45
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-((3-cyclohexyl-5-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)methyl)-N-(2H-tetrazol-5-yl)benzamide
CID 10097880
4-((5-cyclohexyl-3-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)methyl)-N-(2H-tetrazol-5-yl)benzamide
CID 10324097
4-((3,5-bis(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)methyl)-N-(2H-tetrazol-5-yl)benzamide
CID 10326056
N-((2H-tetrazol-5-yl)methyl)-4-((3-(3,5-dichlorophenyl)-5-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-1-yl)methyl)benzamide
CID 10461010
2-butyl-3-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]indazole-6-carboxamide
CID 11958829
4-((1-cyclohexyl-5-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-3-yl)methyl)-N-(2H-tetrazol-5-yl)benzamide
CID 9983854
4-((1-cyclohexyl-3-(4-(trifluoromethoxy)phenyl)-1H-pyrazol-5-yl)methyl)-N-(2H-tetrazol-5-yl)benzamide
CID 10324098
1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[4-(2H-tetrazol-5-yl)phenyl]indazole-3-carboxamide
CID 24956299
1-[2-[(1R,3S,5R)-3-[[3-(difluoromethoxy)-2-fluorophenyl]carbamoyl]-2-azabicyclo[3.1.0]hexan-2-yl]-2-oxoethyl]indazole-3-carboxamide
CID 71009707
1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-(trifluoromethoxy)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide
CID 71042477
1-[[4-(difluoromethoxy)phenyl]methyl]-5-methyl-N-[4-(2H-tetrazol-5-yl)phenyl]pyrazole-3-carboxamide
CID 118738088
1-[(4-methoxyphenyl)methyl]-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]indazole-3-carboxamide
CID 172434239

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3-carboxamide?
The IUPAC name of 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3-carboxamide (CID 24956300) is 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3-carboxamide.
What is the SMILES notation for 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3-carboxamide?
The canonical SMILES for 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3-carboxamide is O=C(NCc1ccc(-c2nn[nH]n2)cc1)c1nn(Cc2ccc(OC(F)F)cc2)c2ccc(F)cc12.
What is the InChIKey of 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3-carboxamide?
The InChIKey is JLBSIAKNWKCVHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3N7O2/c25-17-7-10-20-19(11-17)21(31-34(20)13-15-3-8-18(9-4-15)36-24(26)27)23(35)28-12-14-1-5-16(6-2-14)22-29-32-33-30-22/h1-11,24H,12-13H2,(H,28,35)(H,29,30,32,33).
What are the key properties of 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3-carboxamide?
1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3-carboxamide has a molecular weight of 493.45 g/mol, XLogP of 3.94, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(difluoromethoxy)phenyl]methyl]-5-fluoro-N-[[4-(2H-tetrazol-5-yl)phenyl]methyl]indazole-3-carboxamide is sourced from PubChem (CID 24956300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).